7-chloranyl-6-octylsulfanyl-quinoline-5,8-dione

Systemtic Name: 7-chloranyl-6-octylsulfanyl-quinoline-5,8-dione Openeye Name: 7-chloro-6-octylsulfanyl-quinoline-5,8-dione CAS Name: 7-chloro-6-(octylthio)quinoline-5,8-dione IUPAC Name: 7-chloro-6-octylsulfanylquinoline-5,8-dione Traditional Name: 7-chloro-6-(octylthio)quinoline-5,8-quinone Formula: C17H20ClNO2S MolecularWeight: 337.8642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C(=O)C2=C(C1=O)C=CC=N2)Cl

Isomeric SMILES

CCCCCCCCSC1=C(C(=O)C2=C(C1=O)C=CC=N2)Cl

InChI

InChI=1S/C17H20ClNO2S/c1-2-3-4-5-6-7-11-22-17-13(18)16(21)14-12(15(17)20)9-8-10-19-14/h8-10H,2-7,11H2,1H3